%chk=000037727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037727

0 1
 O   0.3972000       1.414300      -1.709300    
 N   0.8469000     -0.6229000     -0.6091000    
 N    4.861400      0.8969000     -4.3400001E-02
 C   -1.441300     -8.2800001E-02  -1.013000    
 C   -1.275700      -1.404100     -0.2859000    
 C   3.8199998E-02  0.3727000      -1.177200    
 C   7.9700001E-02  -1.668600     -8.0100000E-02
 C   -2.189000      0.9218000     -0.1952000    
 C    2.289600     -0.5930000     -0.5539000    
 C   -2.087100     -0.2557000      -2.384700    
 C    2.755000     -8.6499996E-02  0.8125000    
 C   -2.244700      -2.294600      0.1493000    
 C   0.5084000      -2.817400      0.5628000    
 C    4.278600     -1.3400000E-02  0.9349000    
 C   -1.494600       1.777900      0.6559000    
 C   -3.576700      0.9967000     -0.2883000    
 C   -1.829100      -3.458500      0.8002000    
 C  -0.4636000      -3.717400       1.005300    
 C   -2.192000       2.714600       1.418700    
 C   -4.274000       1.933500      0.4745000    
 C   -3.581700       2.792400       1.327900    
 C    6.315700      0.9600000      0.1134000    
 C    4.278900       2.233900      8.4899999E-02
 H    2.690400      -1.588800     -0.7732000    
 H    2.637700      7.7799998E-02  -1.346700    
 H   -3.036400     -0.8018000      -2.354600    
 H   -2.256600      0.7076000      -2.881400    
 H   -1.429900     -0.8336000      -3.047800    
 H    2.278100      0.8699000       1.057000    
 H    2.399800     -0.7759000       1.589500    
 H   -3.300700      -2.104900     -8.1000002E-03
 H    1.557800      -3.032400      0.7281000    
 H    4.687100      -1.021500      0.7892000    
 H    4.535100      0.2901000       1.958600    
 H  -0.4183000       1.738300      0.7895000    
 H   -4.157400      0.3345000     -0.9216000    
 H   -2.568800      -4.173000       1.151200    
 H  -0.1620000      -4.629400       1.513600    
 H   -1.654400       3.378500       2.089500    
 H   -5.356600       1.990700      0.4084000    
 H   -4.125000       3.519700       1.924100    
 H    6.759200     -3.4499999E-02 -8.9999996E-03
 H    6.610000       1.351200       1.094100    
 H    6.759400       1.596900     -0.6601000    
 H    4.333000       2.616600       1.110700    
 H    3.239900       2.266500     -0.2565000    
 H    4.810400       2.942800     -0.5619000    


%chk=000037727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037727

0 1
O 0.502705 1.255262 -1.514395
N 0.873353 -0.774179 -0.367809
N 4.767134 1.071981 -0.321874
C -1.428148 -0.235116 -0.814874
C -1.287053 -1.584576 -0.116349
C 0.068158 0.209983 -0.957711
C 0.088369 -1.844794 0.134509
C -2.199624 0.840851 -0.013067
C 2.338009 -0.657165 -0.302824
C -2.033807 -0.399065 -2.242846
C 2.812130 0.105989 0.955365
C -2.250294 -2.540461 0.237985
C 0.520992 -3.029666 0.759628
C 4.329038 0.388556 0.919270
C -2.790995 0.572514 1.246930
C -2.311785 2.152461 -0.549044
C -1.835640 -3.747057 0.862737
C -0.465283 -3.980404 1.124305
C -3.496420 1.581419 1.943542
C -3.014114 3.158748 0.146906
C -3.616781 2.877250 1.395396
C 6.239476 1.132417 -0.416432
C 4.143008 2.399118 -0.517792
H 2.782612 -1.668633 -0.343713
H 2.678282 -0.107837 -1.196800
H -3.095493 -0.693243 -2.171660
H -1.966081 0.550060 -2.800055
H -1.489759 -1.174944 -2.809991
H 2.246419 1.052762 1.026551
H 2.581335 -0.472496 1.870820
H -3.312119 -2.361815 0.034193
H 1.580323 -3.222120 0.957191
H 4.882320 -0.570214 0.980064
H 4.602137 0.978225 1.834734
H -2.697778 -0.421850 1.693815
H -1.817932 2.392203 -1.495978
H -2.579965 -4.498974 1.145132
H -0.157034 -4.912057 1.611993
H -3.948063 1.352066 2.915634
H -3.085652 4.164412 -0.282790
H -4.164757 3.658151 1.934724
H 6.660908 0.112307 -0.358020
H 6.712570 1.747383 0.392168
H 6.531709 1.568289 -1.388478
H 4.352719 3.108623 0.323080
H 3.049774 2.303833 -0.632430
H 4.532998 2.846902 -1.448938


